L062-0593 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-({[(4-ethoxyphenyl)carbamoyl]amino}methyl)-1,3,4-thiadiazole-2-carboxamide

L062-0593 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-({[(4-ethoxyphenyl)carbamoyl]amino}methyl)-1,3,4-thiadiazole-2-carboxamide
L062-0593 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-5-({[(4-ethoxyphenyl)carbamoyl]amino}methyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L062-0593
N-(2H-1,3-benzodioxol-5-yl)-5-({[(4-ethoxyphenyl)carbamoyl]amino}methyl)-1,3,4-thiadiazole-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L062-0593

Molecular Formula

C20H19N5O5S (C20 H19 N5 O5 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-5-({[(4-ethoxyphenyl)carbamoyl]amino}methyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-5-({[(4-ethoxyphenyl)carbamoyl]amino}methyl)-134-thiadiazole-2-carboxamide

SMILES

CCOc(cc1)ccc1NC(NCc1nnc(C(Nc(cc2)cc3c2OCO3)=O)s1)=O

InChI

InChI=1S/C20H19N5O5S/c1-2-28-14-6-3-12(4-7-14)23-20(27)21-10-17-24-25-19(31-17)18(26)22-13-5-8-15-16(9-13)30-11-29-15/h3-9H,2,10-11H2,1H3,(H,22,26)(H2,21,23,27)

InChI Key

HQOVYPCTAOKHHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27228102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.058

Distribution Coefficient, logD

3.057

Water Solubility, LogSw

-3.54

Polar Surface Area

105.193

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with L062-0593 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L062-0593?
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What is the minimum amount of L062-0593 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L062-0593
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L062-0593
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L062-0593 available by request